Glycoside
GD151869
Name:
3-oxo-3-[(3,4,5-trihydroxy-6-{[6-hydroxy-6-methyl-3-(propan-2-yl)cyclohex-2-en-1-yl]oxy}oxan-2-yl)methoxy]propanoic acidFormula:
C19H30O10Smiles:
CC(C)C1=CC(OC2OC(COC(=O)CC(=O)O)C(O)C(O)C2O)C(C)(O)CC1Aglycone:
CC(C)C1=CC(O)C(C)(O)CC1.COC(=O)CC(=O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.79 |
| AlogP: | -0.68 | Num_rotatable_bonds: | 7 |
| MolWt: | 418.44 | Num_heavy_atoms: | 29 |
| TPSA: | 162.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD04733
Formula: C4H6O4
Smiles:
COC(=O)CC(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 2 |
| MolWt: | 118.09 | Num_heavy_atoms: | 8 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
AD50639
Formula: C10H18O2
Smiles:
CC(C)C1=CC(O)C(C)(O)CC1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 1 |
| MolWt: | 170.25 | Num_heavy_atoms: | 12 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
